occ::cg::SolvationContribution Class Reference

#include <solvation_contribution.h>

Public Member Functions
	SolvationContribution ()=default
void	add_coulomb (double value, bool is_forward=true)
void	add_cds (double value, bool is_forward=true)
void	add_coulomb_area (double value, bool is_forward=true)
void	add_cds_area (double value, bool is_forward=true)
double	total_energy () const
void	exchange_with (SolvationContribution &other)
bool	has_been_exchanged () const
const ContributionPair &	coulomb () const
const ContributionPair &	cds () const
const ContributionPair &	coulomb_area () const
const ContributionPair &	cds_area () const
bool	antisymmetrize () const
void	set_antisymmetrize (bool on)

Constructor & Destructor Documentation

SolvationContribution()

occ::cg::SolvationContribution::SolvationContribution ( )

default

Member Function Documentation

add_cds()

void occ::cg::SolvationContribution::add_cds	(	double	value,
		bool	is_forward = true
	)

add_cds_area()

void occ::cg::SolvationContribution::add_cds_area	(	double	value,
		bool	is_forward = true
	)

add_coulomb()

void occ::cg::SolvationContribution::add_coulomb	(	double	value,
		bool	is_forward = true
	)

add_coulomb_area()

void occ::cg::SolvationContribution::add_coulomb_area	(	double	value,
		bool	is_forward = true
	)

antisymmetrize()

bool occ::cg::SolvationContribution::antisymmetrize ( ) const

inline

cds()

const ContributionPair & occ::cg::SolvationContribution::cds ( ) const

inline

cds_area()

const ContributionPair & occ::cg::SolvationContribution::cds_area ( ) const

inline

coulomb()

const ContributionPair & occ::cg::SolvationContribution::coulomb ( ) const

inline

coulomb_area()

const ContributionPair & occ::cg::SolvationContribution::coulomb_area ( ) const

inline

exchange_with()

void occ::cg::SolvationContribution::exchange_with

(

SolvationContribution &

other

)

has_been_exchanged()

bool occ::cg::SolvationContribution::has_been_exchanged ( ) const

inline

set_antisymmetrize()

void occ::cg::SolvationContribution::set_antisymmetrize ( bool  on )

inline

total_energy()

double occ::cg::SolvationContribution::total_energy

(

)

const

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The documentation for this class was generated from the following file:

• /home/runner/work/occ/occ/include/occ/cg/solvation_contribution.h